N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide

C15H19F3N2O3S — CID 6859594

IUPACN-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C2CCCCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3S/c1-23-12-7-9-13(10-8-12)24(21,22)20-19-14(15(16,17)18)11-5-3-2-4-6-11/h7-11,20H,2-6H2,1H3/b19-14-
InChIKeyQZHHZNDEPFUYAO-RGEXLXHISA-N
MW364.39 g/mol
LogP3.47
Rot. Bonds5

About N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide

N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide (PubChem CID 6859594) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide
PubChem CID6859594
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC NameN-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C2CCCCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3S/c1-23-12-7-9-13(10-8-12)24(21,22)20-19-14(15(16,17)18)11-5-3-2-4-6-11/h7-11,20H,2-6H2,1H3/b19-14-
InChIKeyQZHHZNDEPFUYAO-RGEXLXHISA-N
XLogP3.47
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide (CID 6859594) is N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C2CCCCC2)C(F)(F)F)cc1.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide?
The InChIKey is QZHHZNDEPFUYAO-RGEXLXHISA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-23-12-7-9-13(10-8-12)24(21,22)20-19-14(15(16,17)18)11-5-3-2-4-6-11/h7-11,20H,2-6H2,1H3/b19-14-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide?
N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,2,2-trifluoroethylidene)amino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 6859594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).